CID 3085961

2,4,6-undecatriene, 2-methyl-

Structural Information

Molecular Formula
C12H20
SMILES
CCCCC=CC=CC=C(C)C
InChI
InChI=1S/C12H20/c1-4-5-6-7-8-9-10-11-12(2)3/h7-11H,4-6H2,1-3H3
InChIKey
UIIGNQXUZIMYKD-UHFFFAOYSA-N
Compound name
2-methylundeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

164.1565 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.16378 142.0
[M+Na]+ 187.14572 147.7
[M-H]- 163.14922 141.7
[M+NH4]+ 182.19032 163.1
[M+K]+ 203.11966 144.7
[M+H-H2O]+ 147.15376 137.3
[M+HCOO]- 209.15470 163.6
[M+CH3COO]- 223.17035 181.6
[M+Na-2H]- 185.13117 144.9
[M]+ 164.15595 142.7
[M]- 164.15705 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe